2-iodanylethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanylsulfinyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: 2-iodanylethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanylsulfinyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: 2-iodoethyl 2-[2-bromosulfinyl-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-bromosulfinyl-3-(1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid 2-iodoethyl ester IUPAC Name: 2-iodoethyl 2-[2-bromosulfinyl-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-(2-bromosulfinyl-4-keto-3-phthalimido-azetidin-1-yl)-3-methyl-but-3-enoic acid 2-iodoethyl ester Formula: C18H16BrIN2O6S MolecularWeight: 595.20291

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S(=O)Br

Isomeric SMILES

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S(=O)Br

InChI

InChI=1S/C18H16BrIN2O6S/c1-9(2)12(18(26)28-8-7-20)22-16(25)13(17(22)29(19)27)21-14(23)10-5-3-4-6-11(10)15(21)24/h3-6,12-13,17H,1,7-8H2,2H3